2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine

HCID 837893

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1023-01-4
표준 SMILES: Cc1ccc2nc(-c3ccc(Br)cc3)cn2c1
InChIKey: OUTIKDPVXLJCLK-UHFFFAOYSA-N
분자식: C14H11BrN2
평균 분자량: 287.15 g/mol
단동위원소 질량: 286.01056

이름 및 식별자

우선 이름: 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
IUPAC: 2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridine
영어명: 2-(4-Bromophenyl)-6-methylimidazo(1,2-a&
분자식: C14H11BrN2
분자량: 287.15

이름 및 동의어

2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridineDTXSID403569322-(4-Bromophenyl)-6-methylimidazo(1,2-a)pyridineRefChem:457097DTXCID10307991622-470-11023-01-4MFCD00444784Imidazo[1,2-a]pyridine, 2-(4-bromophenyl)-6-methyl-CHEMBL78765MLS001203476BDBM50122788

이름 더 보기

2-(4-Bromophenyl)-6-methylimidazo[1,2-aa]pyridineJR-6930, 2-(4-Bromophenyl)-6-methylH-imidazo[1,2-a]pyridine, 97%

2-(4-Bromo-phenyl)-6-methyl-imidazo[1,2-a]pyridine2-(4-Bromophenyl)-6-methylH-imidazo[1,2-a]pyridineAS-68952F1018-04032-(4-bromo-phenyl)-6-methyl-imidazo [1,2-a] pyridineOprea1_68BAS 00600998Oprea1_232242

데이터베이스 식별자

CAS: 1023-01-4
PubChem CID: 837893
DTXSID: DTXSID40356932
ChEMBL: CHEMBL78765
EC Number: 622-470-1
Nikkaji: J2.170.159I

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 17.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 263

실험 및 물리화학적 성질

Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 214 · 214-218 °C
밀도: 1.43 · 1.43±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 6.78 · 6.78±0.50(Predicted)
물리적 상태: solid
InChI: 1S/C14H11BrN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3
InChIKey: OUTIKDPVXLJCLK-UHFFFAOYSA-N
SMILES: Cc1ccc2nc(cn2c1)-c3ccc(Br)cc3

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사44 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

화합물 노트

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